A TD-DFT Study on the Photo-Physicochemical Properties of Chrysophanol from Rheum

A TD-DFT Study on the Photo-Physicochemical Properties of Chrysophanol from Rheum

As a naturally occurring anthraquinone pigment, chrysophanol (MHAQ) has attracted considerable attention in recent years owing to its efficient photosensitivity under the solar spectrum. Considering the successful use of time-dependent density functional theory (TD-DFT) in investigating the photo-ph...

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Bibliographic Details
Main Authors: Dezhan Chen, Zhiqiang Shi, Zebao Zheng, Shuai Feng, Xue Zhao
Format: Article
Language:English
Published: MDPI AG 2009-07-01
Series:International Journal of Molecular Sciences
Subjects:
TD-DFT
chrysophanol
excited states
photosensitization mechanisms
Online Access:http://www.mdpi.com/1422-0067/10/7/3186/

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http://www.mdpi.com/1422-0067/10/7/3186/

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